4-[[5-[1-acetyloxy-3-methoxy-3-oxidanylidene-2-(thiophen-2-ylmethyl)propyl]-2-butyl-imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[5-[1-acetyloxy-3-methoxy-3-oxidanylidene-2-(thiophen-2-ylmethyl)propyl]-2-butyl-imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-[1-acetoxy-3-methoxy-3-oxo-2-(2-thienylmethyl)propyl]-2-butyl-imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[5-[1-acetyloxy-3-methoxy-3-oxo-2-(thiophen-2-ylmethyl)propyl]-2-butyl-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[5-[1-acetyloxy-3-methoxy-3-oxo-2-(thiophen-2-ylmethyl)propyl]-2-butylimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-[1-acetoxy-3-keto-3-methoxy-2-(2-thenyl)propyl]-2-butyl-imidazol-1-yl]methyl]benzoic acid Formula: C26H30N2O6S MolecularWeight: 498.5912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C(C(CC3=CC=CS3)C(=O)OC)OC(=O)C

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C(C(CC3=CC=CS3)C(=O)OC)OC(=O)C

InChI

InChI=1S/C26H30N2O6S/c1-4-5-8-23-27-15-22(28(23)16-18-9-11-19(12-10-18)25(30)31)24(34-17(2)29)21(26(32)33-3)14-20-7-6-13-35-20/h6-7,9-13,15,21,24H,4-5,8,14,16H2,1-3H3,(H,30,31)